Molecule

ID:136385

General Information
Structure
Molecular Formula
C₁₄H₁₅NO₅
Molecular Mass
277.2726
Exact Mass
277.09502259
Charge
0
InChI
InChI=1S/C14H15NO5/c1-18-13(16)12(11-8-19-9-11)15-14(17)20-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,17)
InChIKey
NDTBYBDHYVFWSM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=C1COC1)NC(=O)OCc1ccccc1
Isomeric Smiles
COC(=O)C(=C1COC1)NC(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
11.163349
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1491036
LogD (pH = 7.4)
1.1490381
Log P
1.1491045
Molar Refractivity
71.3602
Polarizability
27.503904
Polar Surface Area
73.86
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation